• Drug Bank
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Records 3941 to 3960 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB04431 mol2, pdbqt 1061,5 -9,701 1595,48 -7,6006 36 21 3 5,482 0,201382820972012 BBB- HIA- Caco2-
DB04432 mol2, pdbqt 297,18 -5,975 398,392 2,0748 7 5 0 -2,661 0,292931570514871 BBB+ HIA+ Caco2-
DB04433 mol2, pdbqt 191,72 -0,658 253,305 -1,7107 7 4 0 6,9013 0,968035116756504 BBB+ HIA+ Caco2-
DB04434 mol2, pdbqt 222,26 -2,516 289,341 0,6548 5 2 0 2,4318 0,882878938676072 BBB+ HIA+ Caco2-
DB04436 mol2, pdbqt 144,84 -1,559 199,18 -1,7941 4 3 0 -12,385 0,48548697469485 BBB- HIA+ Caco2-
DB04437 mol2, pdbqt 259,32 -3,399 356,405 -1,3268 7 3 0 -4,4477 0,34229329348728 BBB+ HIA+ Caco2-
DB04438 mol2, pdbqt 241,55 -0,357 413,116 -4,0651 10 4 0 -19,78 0,432739699052225 BBB+ HIA+ Caco2-
DB04439 mol2, pdbqt 513,22 0,379 791,747 -8,0875 23 16 3 -7,09 0,256944003434428 BBB- HIA- Caco2-
DB04440 mol2, pdbqt 172,65 -1,724 252,229 -1,4137 8 3 0 -0,94333 0,367604466527938 BBB+ HIA+ Caco2-
DB04441 mol2, pdbqt 187,52 -2,91 285,234 -1,2693 9 4 0 -2,2482 0,498857417468805 BBB+ HIA+ Caco2-
DB04442 mol2, pdbqt 189,56 -2,675 254,272 0,5953 6 4 0 0,11579 0,707926171789971 BBB+ HIA+ Caco2-
DB04444 mol2, pdbqt 52,4 -0,53 102,974 0 0 0 0 -1 0,300533035271884 BBB+ HIA+ Caco2+
DB04445 mol2, pdbqt 66,06 -0,53 454,39 0,1692 0 0 0 -1,3975 0,198504158822384 BBB+ HIA+ Caco2+
DB04446 mol2, pdbqt 132,3 -2,234 177,25 1,2691 2 2 0 0,96 0,817860571350856 BBB+ HIA+ Caco2-
DB04447 mol2, pdbqt 110,44 -2,04 154,253 -0,292 2 2 0 -5,227 0,485261943830476 BBB+ HIA+ Caco2-
DB04448 mol2, pdbqt 106,07 -2,128 144,12 1,2639 1 1 0 -3,5856 0,490513028679228 BBB+ HIA+ Caco2+
DB04449 mol2, pdbqt 159,92 -1,257 212,2 0,3544 5 4 0 -1,5046 0,57234636108208 BBB- HIA+ Caco2+
DB04450 mol2, pdbqt 223,97 -2,03 294,41 1,4954 5 4 0 -17,004 0,461888365475037 BBB- HIA+ Caco2-
DB04451 mol2, pdbqt 112 0,155 144,173 -1,1517 4 1 0 7,949 0,50638296603544 BBB+ HIA+ Caco2+
DB04452 mol2, pdbqt 281,97 -5,944 372,431 2,8742 7 4 0 -0,088248 0,244765987994089 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3941 to 3960 of 6870
These data are only available for scientific research purposes.